REMARK  Name = BDB008870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.995   0.214   1.096  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.998   0.776   2.368  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.837   0.335   3.315  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.136   1.825   2.669  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.748   2.299   1.696  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.787   1.717   0.417  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.105   0.674   0.119  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.347  -2.022   0.699  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.878  -0.917   0.784  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        3.234  -0.679   0.558  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        3.893   0.609   0.787  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        5.034   0.844  -0.198  0.00  0.00    +0.050 C 
ATOM     13  C   LIG    1        6.005  -0.331  -0.233  0.00  0.00    +0.118 C 
ATOM     14  C   LIG    1        5.265  -1.642  -0.480  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        4.120  -1.839   0.507  0.00  0.00    +0.110 C 
BRANCH  13  16
ATOM     16  O   LIG    1        6.714  -0.386   1.003  0.00  0.00    -0.392 OA
ATOM     17  H   LIG    1        7.378  -1.093   0.930  0.00  0.00    +0.210 HD
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -1.745   2.251  -0.625  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.441   1.171  -1.449  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.489   0.312  -0.814  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.898   0.516   0.618  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.197  -0.208   0.986  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.212  -1.625   0.426  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.075  -1.613  -1.098  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.038  -0.640  -1.589  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -3.623  -0.778  -3.007  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -4.123  -1.617  -3.750  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.659   0.093  -3.436  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -2.358   0.011  -4.401  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.061   1.057  -2.687  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4